CID 2983003

3,4-dichloro-n-(2-hydroxyphenyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C12H9Cl2NO3S
SMILES
C1=CC=C(C(=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C12H9Cl2NO3S/c13-9-6-5-8(7-10(9)14)19(17,18)15-11-3-1-2-4-12(11)16/h1-7,15-16H
InChIKey
NVFGMSPKJXLVDN-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-(2-hydroxyphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

316.96802 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.975296 162.6
[M+Na]+ 339.957238 173.1
[M-H]- 315.960744 168.6
[M+NH4]+ 335.001843 178.3
[M+K]+ 355.931178 166.1
[M+H-H2O]+ 299.965280 158.1
[M+HCOO]- 361.966221 171.9
[M+CH3COO]- 375.981871 198.9
[M+Na-2H]- 337.942686 166.6
[M]+ 316.96747142 167.5
[M]- 316.96856858 167.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe